N-(2-methyl-6-nitro-phenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H26N4O3/c1-16-6-3-4-8-18(16)14-23-10-12-24(13-11-23)15-20(26)22-21-17(2)7-5-9-19(21)25(27)28/h3-9H,10-15H2,1-2H3,(H,22,26)/p+1